60A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O9 | C6 | sing | 1.43Å | 1.36Å | |
O10 | C8 | sing | 1.43Å | 1.42Å | |
C6 | O4 | sing | 1.43Å | 1.39Å | |
O4 | C1 | sing | 1.43Å | 1.41Å | |
C1 | C3 | sing | 1.53Å | 1.50Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
O5 | C3 | sing | 1.43Å | 1.40Å | |
O5 | C7 | sing | 1.43Å | 1.41Å | |
C8 | C7 | sing | 1.53Å | 1.50Å | |
C8 | H1 | sing | 1.09Å | 1.10Å | |
C8 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
C2 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
O9 | H13 | sing | 0.97Å | 0.95Å | |
O10 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O9 | C6 | O4 | 109.3° | 109.5° |
O9 | C6 | H6 | 109.5° | 109.5° |
O9 | C6 | H7 | 109.5° | 109.5° |
C6 | O9 | H13 | 109.5° | 114.0° |
O10 | C8 | C7 | 108.6° | 109.5° |
O10 | C8 | H1 | 109.7° | 109.4° |
O10 | C8 | H2 | 109.7° | 109.5° |
C8 | O10 | H14 | 109.5° | 114.0° |
C6 | O4 | C1 | 118.4° | 114.0° |
O4 | C6 | H6 | 109.5° | 109.4° |
O4 | C6 | H7 | 109.5° | 109.5° |
O4 | C1 | C3 | 100.0° | 109.5° |
O4 | C1 | C2 | 118.7° | 109.5° |
O4 | C1 | H5 | 110.2° | 109.5° |
C3 | C1 | C2 | 109.8° | 109.5° |
C1 | C3 | O5 | 109.9° | 109.5° |
C3 | C1 | H5 | 109.0° | 109.5° |
C1 | C3 | H8 | 109.4° | 109.5° |
C1 | C3 | H9 | 109.4° | 109.5° |
C2 | C1 | H5 | 108.7° | 109.5° |
C1 | C2 | H10 | 109.5° | 109.4° |
C1 | C2 | H11 | 109.4° | 109.4° |
C1 | C2 | H12 | 109.5° | 109.5° |
C3 | O5 | C7 | 107.1° | 114.0° |
O5 | C3 | H8 | 109.3° | 109.4° |
O5 | C3 | H9 | 109.4° | 109.4° |
O5 | C7 | C8 | 109.5° | 109.4° |
O5 | C7 | H3 | 109.5° | 109.4° |
O5 | C7 | H4 | 109.5° | 109.5° |
C7 | C8 | H1 | 109.7° | 109.5° |
C7 | C8 | H2 | 109.7° | 109.5° |
C8 | C7 | H3 | 109.4° | 109.5° |
C8 | C7 | H4 | 109.5° | 109.5° |
H1 | C8 | H2 | 109.5° | 109.5° |
H3 | C7 | H4 | 109.5° | 109.5° |
H6 | C6 | H7 | 109.5° | 109.5° |
H8 | C3 | H9 | 109.5° | 109.5° |
H10 | C2 | H11 | 109.5° | 109.5° |
H10 | C2 | H12 | 109.5° | 109.5° |
H11 | C2 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O9 | C6 | O4 | H6 | 120.0° | 120.0° |
O9 | C6 | O4 | H7 | 120.0° | 120.0° |
O9 | C6 | O4 | C1 | 82.2° | 75.0° |
O9 | C6 | H6 | H7 | 120.1° | 120.0° |
O10 | C8 | C7 | O5 | 32.8° | 65.0° |
O10 | C8 | C7 | H1 | 119.9° | 120.0° |
O10 | C8 | C7 | H2 | 119.9° | 120.0° |
O10 | C8 | H1 | H2 | 120.4° | 120.0° |
O10 | C8 | C7 | H3 | 87.2° | 175.0° |
O10 | C8 | C7 | H4 | 152.8° | 55.0° |
C6 | O4 | C1 | C3 | 141.8° | 150.0° |
C6 | O4 | C1 | C2 | 22.6° | 90.0° |
C6 | O4 | C1 | H5 | 103.6° | 30.0° |
O4 | C6 | H6 | H7 | 120.1° | 120.0° |
O4 | C6 | O9 | H13 | 180.0° | 180.0° |
O4 | C1 | C3 | C2 | 125.5° | 120.0° |
O4 | C1 | C3 | H5 | 115.6° | 120.0° |
O4 | C1 | C2 | H5 | 126.9° | 120.0° |
O4 | C1 | C3 | O5 | 55.1° | 65.0° |
C1 | O4 | C6 | H6 | 157.8° | 165.0° |
C1 | O4 | C6 | H7 | 37.7° | 45.0° |
O4 | C1 | C3 | H8 | 65.0° | 175.0° |
O4 | C1 | C3 | H9 | 175.2° | 55.0° |
O4 | C1 | C2 | H10 | 180.0° | 60.0° |
O4 | C1 | C2 | H11 | 60.0° | 60.0° |
O4 | C1 | C2 | H12 | 60.0° | 180.0° |
C3 | C1 | C2 | H5 | 119.1° | 120.0° |
C1 | C3 | O5 | H8 | 120.1° | 120.0° |
C1 | C3 | O5 | H9 | 120.1° | 120.0° |
C1 | C3 | O5 | C7 | 164.0° | 180.0° |
C1 | C3 | H8 | H9 | 119.8° | 120.1° |
C3 | C1 | C2 | H10 | 66.0° | 60.0° |
C3 | C1 | C2 | H11 | 54.0° | 180.0° |
C3 | C1 | C2 | H12 | 174.0° | 60.0° |
C2 | C1 | C3 | O5 | 179.4° | 55.0° |
C2 | C1 | C3 | H8 | 60.6° | 65.0° |
C2 | C1 | C3 | H9 | 59.3° | 175.0° |
C1 | C2 | H10 | H11 | 120.0° | 119.9° |
C1 | C2 | H10 | H12 | 120.0° | 120.0° |
C1 | C2 | H11 | H12 | 120.0° | 120.0° |
C3 | O5 | C7 | C8 | 138.1° | 180.0° |
C3 | O5 | C7 | H3 | 101.9° | 60.0° |
C3 | O5 | C7 | H4 | 18.1° | 60.0° |
O5 | C3 | C1 | H5 | 60.5° | 175.0° |
O5 | C3 | H8 | H9 | 119.8° | 120.0° |
O5 | C7 | C8 | H3 | 120.0° | 120.0° |
O5 | C7 | C8 | H4 | 120.0° | 120.0° |
O5 | C7 | C8 | H1 | 87.1° | 175.0° |
O5 | C7 | C8 | H2 | 152.6° | 55.0° |
O5 | C7 | H3 | H4 | 120.0° | 120.0° |
C7 | O5 | C3 | H8 | 44.0° | 60.0° |
C7 | O5 | C3 | H9 | 75.9° | 60.0° |
C7 | C8 | H1 | H2 | 120.4° | 120.0° |
C8 | C7 | H3 | H4 | 120.0° | 120.1° |
C7 | C8 | O10 | H14 | 180.0° | 180.0° |
H1 | C8 | C7 | H3 | 152.9° | 55.1° |
H1 | C8 | C7 | H4 | 32.9° | 65.0° |
H1 | C8 | O10 | H14 | 60.2° | 60.0° |
H2 | C8 | C7 | H3 | 32.6° | 64.9° |
H2 | C8 | C7 | H4 | 87.4° | 175.0° |
H2 | C8 | O10 | H14 | 60.1° | 60.0° |
H5 | C1 | C3 | H8 | 179.5° | 55.0° |
H5 | C1 | C3 | H9 | 59.6° | 65.0° |
H5 | C1 | C2 | H10 | 53.1° | 180.0° |
H5 | C1 | C2 | H11 | 173.1° | 60.0° |
H5 | C1 | C2 | H12 | 66.9° | 60.0° |
H6 | C6 | O9 | H13 | 60.0° | 60.0° |
H7 | C6 | O9 | H13 | 60.0° | 60.0° |
H10 | C2 | H11 | H12 | 120.0° | 120.1° |